Geometry & MOs

Info

ID:	146315
PubChem CID:	53669150
Reduced:	O9C25H34 (2)
Stoich.:	A9B25C34 (2)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-326.29
Dipole, Da:	2.88
IP(EA), eV:	-9.19(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylprop-2-enoxy)-2,6-di(propan-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CCCCCCCC(C(C(C(C(C(C(C(C(O)(OC=C)OC=C)(OC=C)OC=C)(OC=C)OC=C)(OC=C)OC=C)(OC=C)OC=C)(OC=C)OC=C)(OC=C)OC=C)(OC=C)OC=C)OC=C

DOS

IR

Vibrations